200,000+ products from a single source!
sales@angenechem.com
116084-42-5 | Spiro[2.5]octa-4,6-diene-4-carboxylic acid, 6,7-dimethyl-, methyl ester
CAS No: 116084-42-5 Catalog No: AG000BKW MDL No:
Product Description
Catalog Number:
AG000BKW
Chemical Name:
Spiro[2.5]octa-4,6-diene-4-carboxylic acid, 6,7-dimethyl-, methyl ester
CAS Number:
116084-42-5
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
methyl 5,6-dimethylspiro[2.5]octa-5,7-diene-8-carboxylate
InChI:
InChI=1S/C12H16O2/c1-8-6-10(11(13)14-3)12(4-5-12)7-9(8)2/h6H,4-5,7H2,1-3H3
InChI Key:
GYLXSGWOJDEWQL-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC(=C(CC21CC2)C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.